UCSF

ZINC43394408

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.84 9.68 -122.88 4 2 2 32 276.468 5
Hi High (pH 8-9.5) 3.84 9.32 -34.95 3 2 1 30 275.46 5
Hi High (pH 8-9.5) 3.84 7.99 -43.06 3 2 1 31 275.46 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )